# ##################################################################################################
#  Disclaimer                                                                                      #
#  This file is a python3 translation of AutoDockTools (v.1.5.7)                                   #
#  Modifications made by Valdes-Tresanco MS (https://github.com/Valdes-Tresanco-MS)                #
#  Tested by Valdes-Tresanco-MS and Valdes-Tresanco ME                                             #
#  There is no guarantee that it works like the original distribution,                             #
#  but feel free to tell us if you get any difference to correct the code.                         #
#                                                                                                  #
#  Please use this cite the original reference.                                                    #
#  If you think my work helps you, just keep this note intact on your program.                     #
#                                                                                                  #
#  Modification date: 4/7/20 5:48                                                                  #
#                                                                                                  #
# ##################################################################################################

all_dat = {
    "TYR": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "INTX,KFORM": ['INT', '1'],
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 19, 'NA': 21, 'I': 22, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.064, 'type': 'HC'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "OH": {'torsion': 180.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.36,
                   'charge': -0.528, 'type': 'OH'},
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.064, 'type': 'HC'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.102, 'type': 'HC'},
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 19, 'I': 20, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.102, 'type': 'HC'},
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 16, 'NA': 19, 'I': 21, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.002, 'type': 'CA'},
            "NAMRES": 'TYROSINE',
            "CD1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.002, 'type': 'CA'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'CE1', 'HE1', 'CZ', 'OH', 'HH',
                           'CE2', 'HE2', 'CD2', 'HD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.264, 'type': 'CA'},
            "CE2": {'torsion': 0.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 19, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.264, 'type': 'CA'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "HH": {'torsion': 0.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 113.0, 'blen': 0.96,
                   'charge': 0.334, 'type': 'HO'},
            "CZ": {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 120.0, 'blen': 1.4,
                   'charge': 0.462, 'type': 'C'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 23, 'I': 24, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.51,
                   'charge': -0.03, 'type': 'CA'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.098, 'type': 'CT'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 23, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            },
    "NHE": {"N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "atNameList": ['N', 'HN1', 'HN2'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.0000', '0.0000', '0.0000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.0000', '0.0000', '0.0000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.0000', '90.0000', '0.0000']],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORRECT', 'OMIT', 'DU', 'BEG'],
            "HN2": {'torsion': 180.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 119.8, 'blen': 1.01,
                    'charge': 0.2315, 'type': 'H'},
            "impropTors": [['-M', 'HN1', 'N', 'HN2']],
            "CUT": ['0.00000'],
            "HN1": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                    'charge': 0.2315, 'type': 'H'},
            "NAMRES": 'NH2 ENDING GROUP',
            },
    "ARG": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.056, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.056, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['NE', 'NH1', 'CZ', 'NH2'],
                           ['CD', 'CZ', 'NE', 'HE'], ['CZ', 'HH12', 'NH1', 'HH11'], ['CZ', 'HH22', 'NH2', 'HH21']],
            "HH11": {'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 20, 'I': 21, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.361, 'type': 'H3'},
            "HH12": {'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 20, 'I': 22, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.361, 'type': 'H3'},
            "HH21": {'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 23, 'I': 24, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.361, 'type': 'H3'},
            "HH22": {'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 23, 'I': 25, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.361, 'type': 'H3'},
            "INTX,KFORM": ['INT', '1'],
            "NE": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 111.0, 'blen': 1.48,
                   'charge': -0.324, 'type': 'N2'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.074, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HD2": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.133, 'type': 'HC'},
            "HD3": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.133, 'type': 'HC'},
            "NAMRES": 'ARGININE',
            "HE": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 118.5, 'blen': 1.01,
                   'charge': 0.269, 'type': 'H3'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'HD2', 'HD3', 'NE', 'HE',
                           'CZ', 'NH1', 'HH11', 'HH12', 'NH2', 'HH21', 'HH22', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "NH2": {'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 17, 'NA': 19, 'I': 23, 'angle': 118.0, 'blen': 1.33,
                    'charge': -0.624, 'type': 'N2'},
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.074, 'type': 'HC'},
            "NH1": {'torsion': 0.0, 'tree': 'B', 'NC': 14, 'NB': 17, 'NA': 19, 'I': 20, 'angle': 122.0, 'blen': 1.33,
                    'charge': -0.624, 'type': 'N2'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "CZ": {'torsion': 180.0, 'tree': 'B', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 123.0, 'blen': 1.33,
                   'charge': 0.76, 'type': 'CA'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "CD": {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.228, 'type': 'CT'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 27, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.103, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.08, 'type': 'CT'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 26, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            },
    "LEU": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.033, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.033, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "NAMRES": 'LEUCINE',
            "HG": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.031, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG', 'CD1', 'HD11', 'HD12', 'HD13', 'CD2',
                           'HD21', 'HD22', 'HD23', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HD11": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.034, 'type': 'HC'},
            "HD12": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.034, 'type': 'HC'},
            "HD13": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.034, 'type': 'HC'},
            "CD2": {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 17, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.107, 'type': 'CT'},
            "CD1": {'torsion': 60.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.107, 'type': 'CT'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.01, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.061, 'type': 'CT'},
            "HD21": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.034, 'type': 'HC'},
            "HD23": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.034, 'type': 'HC'},
            "HD22": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.034, 'type': 'HC'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            },
    "RURA": {"C4": {'torsion': 0.0, 'tree': 'B', 'NC': 13, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 120.78, 'blen': 1.44,
                    'charge': 0.834, 'type': 'C'},
             "C5": {'torsion': 177.3, 'tree': 'B', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 16, 'angle': 121.22, 'blen': 1.34,
                    'charge': -0.529, 'type': 'CM'},
             "C6": {'torsion': 81.59, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 123.04, 'blen': 1.37,
                    'charge': 0.16, 'type': 'CM'},
             "O3'": {'torsion': -203.47, 'tree': 'M', 'NC': 5, 'NB': 8, 'NA': 24, 'I': 30, 'angle': 116.52,
                     'blen': 1.42, 'charge': -0.509, 'type': 'OS'},
             "H6": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.08,
                    'charge': 0.098, 'type': 'HC'},
             "O2'": {'torsion': 240.0, 'tree': 'S', 'NC': 8, 'NB': 24, 'NA': 26, 'I': 28, 'angle': 109.5, 'blen': 1.43,
                     'charge': -0.546, 'type': 'OH'},
             "C2": {'torsion': 0.0, 'tree': 'S', 'NC': 16, 'NB': 18, 'NA': 20, 'I': 22, 'angle': 126.46, 'blen': 1.38,
                    'charge': 0.775, 'type': 'C'},
             "C2'": {'torsion': -86.3, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 24, 'I': 26, 'angle': 102.8, 'blen': 1.53,
                     'charge': 0.101, 'type': 'CT'},
             "impropTors": [['N1', 'N3', 'C2', 'O2'], ['C5', 'N3', 'C4', 'O4'], ['C2', 'C4', 'N3', 'H3']],
             "O1'": {'torsion': -86.31, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 108.86, 'blen': 1.46,
                     'charge': -0.343, 'type': 'OS'},
             "H5": {'torsion': 180.0, 'tree': 'E', 'NC': 13, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.146, 'type': 'HC'},
             "INTX,KFORM": ['INT', '1'],
             "O5'": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                     'charge': -0.509, 'type': 'OS'},
             "N3": {'torsion': 0.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 20, 'angle': 114.07, 'blen': 1.38,
                    'charge': -0.768, 'type': 'NA'},
             "H3": {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 18, 'NA': 20, 'I': 21, 'angle': 116.77, 'blen': 1.09,
                    'charge': 0.334, 'type': 'H'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "loopList": [["C1'", "C2'"], ['C2', 'N1']],
             "H3'": {'torsion': 30.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 24, 'I': 25, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.007, 'type': 'HC'},
             "NAMRES": 'R-URACIL',
             "H4'": {'torsion': -200.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.061, 'type': 'HC'},
             "H1'": {'torsion': -240.0, 'tree': 'E', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.054, 'type': 'HC'},
             "O2": {'torsion': 180.0, 'tree': 'E', 'NC': 18, 'NB': 20, 'NA': 22, 'I': 23, 'angle': 121.7, 'blen': 1.22,
                    'charge': -0.472, 'type': 'O'},
             "atNameList": ["O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O1'", "C1'", "H1'", 'N1', 'C6', 'H6', 'C5',
                            'H5', 'C4', 'O4', 'N3', 'H3', 'C2', 'O2', "C3'", "H3'", "C2'", "H2'", "O2'", "HO2'", "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "H2'": {'torsion': 120.0, 'tree': 'E', 'NC': 8, 'NB': 24, 'NA': 26, 'I': 27, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.008, 'type': 'HC'},
             "N1": {'torsion': -127.7, 'tree': 'S', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 109.59, 'blen': 1.53,
                    'charge': -0.159, 'type': 'N*'},
             "CUT": ['0.00000'],
             "H5'2": {'torsion': -280.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.008, 'type': 'HC'},
             "H5'1": {'torsion': -160.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.008, 'type': 'HC'},
             "C4'": {'torsion': -151.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 110.0, 'blen': 1.52,
                     'charge': 0.1, 'type': 'CT'},
             "C5'": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 1.44,
                     'charge': 0.18, 'type': 'CT'},
             "C1'": {'torsion': 105.6, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 110.04, 'blen': 1.42,
                     'charge': 0.117, 'type': 'CT'},
             "C3'": {'torsion': -329.11, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 24, 'angle': 115.78, 'blen': 1.53,
                     'charge': 0.303, 'type': 'CT'},
             "HO2'": {'torsion': 180.0, 'tree': 'E', 'NC': 24, 'NB': 26, 'NA': 28, 'I': 29, 'angle': 107.0,
                      'blen': 0.96, 'charge': 0.324, 'type': 'HO'},
             "O4": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 125.35, 'blen': 1.23,
                    'charge': -0.474, 'type': 'O'},
             },
    "NME": {"CT": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.067, 'type': 'CT'},
            "atNameList": ['N', 'H', 'CT', 'HT1', 'HT2', 'HT3'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HT1": {'torsion': 0.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.048, 'type': 'HC'},
            "HT2": {'torsion': 120.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.048, 'type': 'HC'},
            "HT3": {'torsion': 240.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.048, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "NAMRES": 'N-methyl all atom',
            },
    "MET": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.027, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.027, 'type': 'HC'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "SD": {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 110.0, 'blen': 1.81,
                   'charge': 0.737, 'type': 'S'},
            "LP1": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 96.7, 'blen': 0.679,
                    'charge': -0.381, 'type': 'LP'},
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0652, 'type': 'HC'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0652, 'type': 'HC'},
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HE3": {'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0652, 'type': 'HC'},
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0652, 'type': 'HC'},
            "HE1": {'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0652, 'type': 'HC'},
            "NAMRES": 'METHIONINE',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'SD', 'LP1', 'LP2', 'CE',
                           'HE1', 'HE2', 'HE3', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "CE": {'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 100.0, 'blen': 1.78,
                   'charge': -0.134, 'type': 'CT'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.054, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.151, 'type': 'CT'},
            "LP2": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 96.7, 'blen': 0.679,
                    'charge': -0.381, 'type': 'LP'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            },
    "IDBGEN,IREST,ITYPF": ['1', '0', '2'],
    "ALA": {"HB2": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "HB3": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB1', 'HB2', 'HB3', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HB1": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 12, 'I': 13, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.098, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 12, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            "NAMRES": 'ALANINE',
            },
    "PHE": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.108, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.108, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "INTX,KFORM": ['INT', '1'],
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 18, 'NA': 20, 'I': 21, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.15, 'type': 'HC'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.15, 'type': 'HC'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.15, 'type': 'HC'},
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.15, 'type': 'HC'},
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 20, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.15, 'type': 'CA'},
            "NAMRES": 'PHENYLALANINE',
            "CD1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.15, 'type': 'CA'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'CE1', 'HE1', 'CZ', 'HZ',
                           'CE2', 'HE2', 'CD2', 'HD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.15, 'type': 'CA'},
            "CE2": {'torsion': 0.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 120.0, 'blen': 1.4,
                    'charge': -0.15, 'type': 'CA'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "CZ": {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 120.0, 'blen': 1.4,
                   'charge': -0.15, 'type': 'CA'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 22, 'I': 23, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51,
                   'charge': -0.1, 'type': 'CA'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.1, 'type': 'CT'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 22, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            "HZ": {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.09,
                   'charge': 0.15, 'type': 'HC'},
            },
    "ROHE": {"INTX,KFORM": ['INT', '1'],
             "atNameList": ['O', 'H'],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "H": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 0.96,
                   'charge': 0.226, 'type': 'HO'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "O": {'torsion': -78.6, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                   'charge': -0.621, 'type': 'OH'},
             "CUT": ['0.00000'],
             "NAMRES": 'R-OH END',
             },
    "NAMDBF": 'db4.dat',
    "SER": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.119, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.119, 'type': 'HC'},
            "HG": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.47, 'blen': 0.96,
                   'charge': 0.31, 'type': 'HO'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'OG', 'HG', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 13, 'I': 14, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.018, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "OG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.43,
                   'charge': -0.55, 'type': 'OH'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 13, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            "NAMRES": 'SERINE',
            },
    "RADE": {"H2": {'torsion': 180.0, 'tree': 'E', 'NC': 18, 'NB': 22, 'NA': 23, 'I': 24, 'angle': 120.0, 'blen': 1.08,
                    'charge': -0.032, 'type': 'HC'},
             "C5": {'torsion': 0.0, 'tree': 'S', 'NC': 13, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 104.0, 'blen': 1.39,
                    'charge': -0.097, 'type': 'CB'},
             "C6": {'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 132.42, 'blen': 1.4,
                    'charge': 0.769, 'type': 'CA'},
             "O3'": {'torsion': -203.47, 'tree': 'M', 'NC': 5, 'NB': 8, 'NA': 27, 'I': 33, 'angle': 116.52,
                     'blen': 1.42, 'charge': -0.509, 'type': 'OS'},
             "H62": {'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 18, 'NA': 19, 'I': 21, 'angle': 120.0, 'blen': 1.01,
                     'charge': 0.335, 'type': 'H2'},
             "O2'": {'torsion': 240.0, 'tree': 'S', 'NC': 8, 'NB': 27, 'NA': 29, 'I': 31, 'angle': 109.5, 'blen': 1.43,
                     'charge': -0.546, 'type': 'OH'},
             "C2": {'torsion': 0.0, 'tree': 'B', 'NC': 17, 'NB': 18, 'NA': 22, 'I': 23, 'angle': 118.8, 'blen': 1.33,
                    'charge': 0.661, 'type': 'CQ'},
             "H61": {'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 18, 'NA': 19, 'I': 20, 'angle': 120.0, 'blen': 1.01,
                     'charge': 0.324, 'type': 'H2'},
             "C2'": {'torsion': -86.3, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 27, 'I': 29, 'angle': 102.8, 'blen': 1.53,
                     'charge': 0.101, 'type': 'CT'},
             "impropTors": [['C6', 'H61', 'N6', 'H62']],
             "C8": {'torsion': 81.59, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 131.2, 'blen': 1.37,
                    'charge': 0.263, 'type': 'CK'},
             "O1'": {'torsion': -86.31, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 108.86, 'blen': 1.46,
                     'charge': -0.343, 'type': 'OS'},
             "INTX,KFORM": ['INT', '1'],
             "O5'": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                     'charge': -0.509, 'type': 'OS'},
             "N7": {'torsion': 177.0, 'tree': 'S', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 16, 'angle': 113.93, 'blen': 1.3,
                    'charge': -0.543, 'type': 'NB'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "C4": {'torsion': 0.0, 'tree': 'E', 'NC': 22, 'NB': 23, 'NA': 25, 'I': 26, 'angle': 110.8, 'blen': 1.35,
                    'charge': 0.546, 'type': 'CB'},
             "loopList": [["C1'", "C2'"], ['C4', 'C5'], ['C4', 'N9']],
             "H3'": {'torsion': -80.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 27, 'I': 28, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.007, 'type': 'HC'},
             "NAMRES": 'R-ADENOSINE',
             "H8": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.08,
                    'charge': 0.062, 'type': 'HC'},
             "H4'": {'torsion': -200.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.061, 'type': 'HC'},
             "H1'": {'torsion': -240.0, 'tree': 'E', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.054, 'type': 'HC'},
             "N6": {'torsion': 0.0, 'tree': 'B', 'NC': 16, 'NB': 17, 'NA': 18, 'I': 19, 'angle': 123.5, 'blen': 1.34,
                    'charge': -0.768, 'type': 'N2'},
             "atNameList": ["O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O1'", "C1'", "H1'", 'N9', 'C8', 'H8', 'N7',
                            'C5', 'C6', 'N6', 'H61', 'H62', 'N1', 'C2', 'H2', 'N3', 'C4', "C3'", "H3'", "C2'", "H2'",
                            "O2'", "HO2'", "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "H2'": {'torsion': 120.0, 'tree': 'E', 'NC': 8, 'NB': 27, 'NA': 29, 'I': 30, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.008, 'type': 'HC'},
             "N1": {'torsion': 180.0, 'tree': 'S', 'NC': 16, 'NB': 17, 'NA': 18, 'I': 22, 'angle': 117.43, 'blen': 1.34,
                    'charge': -0.774, 'type': 'NC'},
             "H5'2": {'torsion': 90.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.008, 'type': 'HC'},
             "H5'1": {'torsion': -30.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.008, 'type': 'HC'},
             "C4'": {'torsion': -151.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 110.0, 'blen': 1.52,
                     'charge': 0.1, 'type': 'CT'},
             "N9": {'torsion': -127.7, 'tree': 'S', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 109.59, 'blen': 1.52,
                    'charge': -0.073, 'type': 'N*'},
             "C5'": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 1.44,
                     'charge': 0.18, 'type': 'CT'},
             "C1'": {'torsion': 105.6, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 110.04, 'blen': 1.42,
                     'charge': 0.117, 'type': 'CT'},
             "C3'": {'torsion': -329.11, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 27, 'angle': 115.78, 'blen': 1.53,
                     'charge': 0.303, 'type': 'CT'},
             "N3": {'torsion': 0.0, 'tree': 'S', 'NC': 18, 'NB': 22, 'NA': 23, 'I': 25, 'angle': 129.17, 'blen': 1.32,
                    'charge': -0.728, 'type': 'NC'},
             "HO2'": {'torsion': 180.0, 'tree': 'E', 'NC': 27, 'NB': 29, 'NA': 31, 'I': 32, 'angle': 107.0,
                      'blen': 0.96, 'charge': 0.324, 'type': 'HO'},
             "CUT": ['0.00000'],
             },
    "DTHY": {"H71": {'torsion': 60.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.114, 'type': 'HC'},
             "C5": {'torsion': 177.3, 'tree': 'B', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 16, 'angle': 121.22, 'blen': 1.34,
                    'charge': -0.176, 'type': 'CM'},
             "C6": {'torsion': 81.59, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 123.04, 'blen': 1.37,
                    'charge': 0.034, 'type': 'CM'},
             "H72": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.114, 'type': 'HC'},
             "H6": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.08,
                    'charge': 0.134, 'type': 'HC'},
             "O3'": {'torsion': -203.47, 'tree': 'M', 'NC': 5, 'NB': 8, 'NA': 27, 'I': 32, 'angle': 116.52,
                     'blen': 1.42, 'charge': -0.509, 'type': 'OS'},
             "C2": {'torsion': 0.0, 'tree': 'S', 'NC': 16, 'NB': 21, 'NA': 23, 'I': 25, 'angle': 126.46, 'blen': 1.38,
                    'charge': 0.849, 'type': 'C'},
             "N3": {'torsion': 0.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 21, 'I': 23, 'angle': 114.07, 'blen': 1.38,
                    'charge': -0.851, 'type': 'NA'},
             "C2'": {'torsion': -86.3, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 27, 'I': 29, 'angle': 102.8, 'blen': 1.53,
                     'charge': -0.307, 'type': 'CT'},
             "H2'1": {'torsion': 120.0, 'tree': 'E', 'NC': 8, 'NB': 27, 'NA': 29, 'I': 30, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.081, 'type': 'HC'},
             "H2'2": {'torsion': 240.0, 'tree': 'E', 'NC': 8, 'NB': 27, 'NA': 29, 'I': 31, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.081, 'type': 'HC'},
             "O1'": {'torsion': -86.31, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 108.86, 'blen': 1.46,
                     'charge': -0.368, 'type': 'OS'},
             "INTX,KFORM": ['INT', '1'],
             "O5'": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                     'charge': -0.509, 'type': 'OS'},
             "O4": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 21, 'I': 22, 'angle': 125.35, 'blen': 1.23,
                    'charge': -0.464, 'type': 'O'},
             "H3": {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 21, 'NA': 23, 'I': 24, 'angle': 116.77, 'blen': 1.09,
                    'charge': 0.355, 'type': 'H'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "C4": {'torsion': 0.0, 'tree': 'B', 'NC': 13, 'NB': 14, 'NA': 16, 'I': 21, 'angle': 120.78, 'blen': 1.44,
                    'charge': 0.809, 'type': 'C'},
             "H73": {'torsion': 300.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.114, 'type': 'HC'},
             "H3'": {'torsion': 30.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 27, 'I': 28, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.025, 'type': 'HC'},
             "NAMRES": 'D-THY',
             "C7": {'torsion': 180.0, 'tree': '3', 'NC': 13, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 121.63, 'blen': 1.5,
                    'charge': -0.382, 'type': 'CT'},
             "H4'": {'torsion': -200.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.056, 'type': 'HC'},
             "H1'": {'torsion': -240.0, 'tree': 'E', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.009, 'type': 'HC'},
             "O2": {'torsion': 180.0, 'tree': 'E', 'NC': 21, 'NB': 23, 'NA': 25, 'I': 26, 'angle': 121.7, 'blen': 1.22,
                    'charge': -0.488, 'type': 'O'},
             "atNameList": ["O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O1'", "C1'", "H1'", 'N1', 'C6', 'H6', 'C5',
                            'C7', 'H71', 'H72', 'H73', 'C4', 'O4', 'N3', 'H3', 'C2', 'O2', "C3'", "H3'", "C2'", "H2'1",
                            "H2'2", "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "N1": {'torsion': -127.7, 'tree': 'S', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 109.59, 'blen': 1.53,
                    'charge': -0.217, 'type': 'N*'},
             "H5'2": {'torsion': -280.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.021, 'type': 'HC'},
             "H5'1": {'torsion': -160.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.021, 'type': 'HC'},
             "C4'": {'torsion': -151.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 110.0, 'blen': 1.52,
                     'charge': 0.036, 'type': 'CT'},
             "C5'": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 1.44,
                     'charge': 0.118, 'type': 'CT'},
             "C1'": {'torsion': 105.6, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 110.04, 'blen': 1.42,
                     'charge': 0.376, 'type': 'CT'},
             "C3'": {'torsion': -329.11, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 27, 'angle': 115.78, 'blen': 1.53,
                     'charge': 0.233, 'type': 'CT'},
             "loopList": [["C1'", "C2'"], ['C2', 'N1']],
             "CUT": ['0.00000'],
             "impropTors": [['N1', 'N3', 'C2', 'O2'], ['C5', 'N3', 'C4', 'O4'], ['C2', 'C4', 'N3', 'H3']],
             },
    "DGUA": {"C4": {'torsion': 0.0, 'tree': 'E', 'NC': 20, 'NB': 22, 'NA': 26, 'I': 27, 'angle': 112.2, 'blen': 1.36,
                    'charge': 0.391, 'type': 'CB'},
             "C5": {'torsion': 0.0, 'tree': 'S', 'NC': 13, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 103.9, 'blen': 1.39,
                    'charge': -0.06, 'type': 'CB'},
             "C6": {'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 130.4, 'blen': 1.42,
                    'charge': 0.69, 'type': 'C'},
             "O3'": {'torsion': -203.47, 'tree': 'M', 'NC': 5, 'NB': 8, 'NA': 28, 'I': 33, 'angle': 116.52,
                     'blen': 1.42, 'charge': -0.509, 'type': 'OS'},
             "impropTors": [['C5', 'N1', 'C6', 'O6'], ['C6', 'C2', 'N1', 'H1'], ['C2', 'H21', 'N2', 'H22']],
             "C2": {'torsion': -0.1, 'tree': 'B', 'NC': 17, 'NB': 18, 'NA': 20, 'I': 22, 'angle': 125.24, 'blen': 1.38,
                    'charge': 0.871, 'type': 'CA'},
             "N3": {'torsion': 0.0, 'tree': 'S', 'NC': 18, 'NB': 20, 'NA': 22, 'I': 26, 'angle': 123.3, 'blen': 1.33,
                    'charge': -0.709, 'type': 'NC'},
             "C2'": {'torsion': -86.3, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 28, 'I': 30, 'angle': 102.8, 'blen': 1.53,
                     'charge': -0.307, 'type': 'CT'},
             "H1": {'torsion': 179.9, 'tree': 'E', 'NC': 17, 'NB': 18, 'NA': 20, 'I': 21, 'angle': 117.36, 'blen': 1.0,
                    'charge': 0.336, 'type': 'H'},
             "C8": {'torsion': 81.59, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 129.2, 'blen': 1.38,
                    'charge': 0.266, 'type': 'CK'},
             "O1'": {'torsion': -86.31, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 108.86, 'blen': 1.46,
                     'charge': -0.368, 'type': 'OS'},
             "INTX,KFORM": ['INT', '1'],
             "O5'": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                     'charge': -0.509, 'type': 'OS'},
             "N7": {'torsion': -179.9, 'tree': 'S', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 16, 'angle': 114.0, 'blen': 1.31,
                    'charge': -0.543, 'type': 'NB'},
             "H2'2": {'torsion': 240.0, 'tree': 'E', 'NC': 8, 'NB': 28, 'NA': 30, 'I': 32, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.081, 'type': 'HC'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "N1": {'torsion': 180.0, 'tree': 'B', 'NC': 16, 'NB': 17, 'NA': 18, 'I': 20, 'angle': 111.38, 'blen': 1.4,
                    'charge': -0.729, 'type': 'NA'},
             "loopList": [["C1'", "C2'"], ['C4', 'C5'], ['C4', 'N9']],
             "H21": {'torsion': -0.82, 'tree': 'E', 'NC': 20, 'NB': 22, 'NA': 23, 'I': 24, 'angle': 127.0, 'blen': 1.01,
                     'charge': 0.325, 'type': 'H2'},
             "NAMRES": 'D-GUANOSINE',
             "H8": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.08,
                    'charge': 0.046, 'type': 'HC'},
             "H4'": {'torsion': -200.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.056, 'type': 'HC'},
             "H1'": {'torsion': -240.0, 'tree': 'E', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.009, 'type': 'HC'},
             "atNameList": ["O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O1'", "C1'", "H1'", 'N9', 'C8', 'H8', 'N7',
                            'C5', 'C6', 'O6', 'N1', 'H1', 'C2', 'N2', 'H21', 'H22', 'N3', 'C4', "C3'", "H3'", "C2'",
                            "H2'1", "H2'2", "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "N2": {'torsion': 180.0, 'tree': 'B', 'NC': 18, 'NB': 20, 'NA': 22, 'I': 23, 'angle': 116.02, 'blen': 1.34,
                    'charge': -0.778, 'type': 'N2'},
             "O6": {'torsion': 0.0, 'tree': 'E', 'NC': 16, 'NB': 17, 'NA': 18, 'I': 19, 'angle': 128.8, 'blen': 1.23,
                    'charge': -0.458, 'type': 'O'},
             "H5'2": {'torsion': 90.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.021, 'type': 'HC'},
             "H5'1": {'torsion': -30.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.021, 'type': 'HC'},
             "H3'": {'torsion': -320.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 28, 'I': 29, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.025, 'type': 'HC'},
             "C4'": {'torsion': -151.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 110.0, 'blen': 1.52,
                     'charge': 0.036, 'type': 'CT'},
             "H2'1": {'torsion': 120.0, 'tree': 'E', 'NC': 8, 'NB': 28, 'NA': 30, 'I': 31, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.081, 'type': 'HC'},
             "N9": {'torsion': -127.7, 'tree': 'S', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 108.06, 'blen': 1.49,
                    'charge': -0.042, 'type': 'N*'},
             "C5'": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 1.44,
                     'charge': 0.118, 'type': 'CT'},
             "H22": {'torsion': -179.44, 'tree': 'E', 'NC': 20, 'NB': 22, 'NA': 23, 'I': 25, 'angle': 116.53,
                     'blen': 1.01, 'charge': 0.339, 'type': 'H2'},
             "C1'": {'torsion': 105.6, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 110.04, 'blen': 1.42,
                     'charge': 0.376, 'type': 'CT'},
             "C3'": {'torsion': -329.11, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 28, 'angle': 115.78, 'blen': 1.53,
                     'charge': 0.233, 'type': 'CT'},
             "CUT": ['0.00000'],
             },
    "DPOM": {"INTX,KFORM": ['INT', '1'],
             "OB": {'torsion': -342.91, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 109.58, 'blen': 1.48,
                    'charge': -0.847, 'type': 'O2'},
             "atNameList": ['P', 'OA', 'OB'],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "CUT": ['0.00000'],
             "OA": {'torsion': -214.89, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 109.61, 'blen': 1.48,
                    'charge': -0.847, 'type': 'O2'},
             "P": {'torsion': -200.85, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 119.04, 'blen': 1.6,
                   'charge': 1.385, 'type': 'P'},
             "NAMRES": 'PHOSMI D',
             },
    "RGUA": {"C4": {'torsion': 0.0, 'tree': 'E', 'NC': 20, 'NB': 22, 'NA': 26, 'I': 27, 'angle': 112.2, 'blen': 1.36,
                    'charge': 0.391, 'type': 'CB'},
             "C5": {'torsion': 0.0, 'tree': 'S', 'NC': 13, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 103.9, 'blen': 1.39,
                    'charge': -0.06, 'type': 'CB'},
             "C6": {'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 130.4, 'blen': 1.42,
                    'charge': 0.69, 'type': 'C'},
             "O3'": {'torsion': -203.47, 'tree': 'M', 'NC': 5, 'NB': 8, 'NA': 28, 'I': 34, 'angle': 116.52,
                     'blen': 1.42, 'charge': -0.509, 'type': 'OS'},
             "O2'": {'torsion': 240.0, 'tree': 'S', 'NC': 8, 'NB': 28, 'NA': 30, 'I': 32, 'angle': 109.5, 'blen': 1.43,
                     'charge': -0.546, 'type': 'OH'},
             "impropTors": [['C5', 'N1', 'C6', 'O6'], ['C6', 'C2', 'N1', 'H1'], ['C2', 'H21', 'N2', 'H22']],
             "C2": {'torsion': -0.1, 'tree': 'B', 'NC': 17, 'NB': 18, 'NA': 20, 'I': 22, 'angle': 125.24, 'blen': 1.38,
                    'charge': 0.871, 'type': 'CA'},
             "N3": {'torsion': 0.0, 'tree': 'S', 'NC': 18, 'NB': 20, 'NA': 22, 'I': 26, 'angle': 123.3, 'blen': 1.33,
                    'charge': -0.709, 'type': 'NC'},
             "C2'": {'torsion': -86.3, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 28, 'I': 30, 'angle': 102.8, 'blen': 1.53,
                     'charge': 0.101, 'type': 'CT'},
             "H1": {'torsion': 179.9, 'tree': 'E', 'NC': 17, 'NB': 18, 'NA': 20, 'I': 21, 'angle': 117.36, 'blen': 1.0,
                    'charge': 0.336, 'type': 'H'},
             "C8": {'torsion': 81.59, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 129.2, 'blen': 1.38,
                    'charge': 0.266, 'type': 'CK'},
             "O1'": {'torsion': -86.31, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 108.86, 'blen': 1.46,
                     'charge': -0.343, 'type': 'OS'},
             "INTX,KFORM": ['INT', '1'],
             "O5'": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                     'charge': -0.509, 'type': 'OS'},
             "N7": {'torsion': -179.9, 'tree': 'S', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 16, 'angle': 114.0, 'blen': 1.31,
                    'charge': -0.543, 'type': 'NB'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "N1": {'torsion': 180.0, 'tree': 'B', 'NC': 16, 'NB': 17, 'NA': 18, 'I': 20, 'angle': 111.38, 'blen': 1.4,
                    'charge': -0.729, 'type': 'NA'},
             "loopList": [["C1'", "C2'"], ['C4', 'C5'], ['C4', 'N9']],
             "H21": {'torsion': -0.82, 'tree': 'E', 'NC': 20, 'NB': 22, 'NA': 23, 'I': 24, 'angle': 127.0, 'blen': 1.01,
                     'charge': 0.325, 'type': 'H2'},
             "NAMRES": 'R-GUANOSINE',
             "H8": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.08,
                    'charge': 0.046, 'type': 'HC'},
             "H2'": {'torsion': 120.0, 'tree': 'E', 'NC': 8, 'NB': 28, 'NA': 30, 'I': 31, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.008, 'type': 'HC'},
             "H4'": {'torsion': -200.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.061, 'type': 'HC'},
             "H1'": {'torsion': -240.0, 'tree': 'E', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.054, 'type': 'HC'},
             "atNameList": ["O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O1'", "C1'", "H1'", 'N9', 'C8', 'H8', 'N7',
                            'C5', 'C6', 'O6', 'N1', 'H1', 'C2', 'N2', 'H21', 'H22', 'N3', 'C4', "C3'", "H3'", "C2'",
                            "H2'", "O2'", "HO2'", "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "N2": {'torsion': 180.0, 'tree': 'B', 'NC': 18, 'NB': 20, 'NA': 22, 'I': 23, 'angle': 116.02, 'blen': 1.34,
                    'charge': -0.778, 'type': 'N2'},
             "O6": {'torsion': 0.0, 'tree': 'E', 'NC': 16, 'NB': 17, 'NA': 18, 'I': 19, 'angle': 128.8, 'blen': 1.23,
                    'charge': -0.458, 'type': 'O'},
             "H5'2": {'torsion': 90.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.008, 'type': 'HC'},
             "H5'1": {'torsion': -30.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.008, 'type': 'HC'},
             "H3'": {'torsion': -320.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 28, 'I': 29, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.007, 'type': 'HC'},
             "C4'": {'torsion': -151.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 110.0, 'blen': 1.52,
                     'charge': 0.1, 'type': 'CT'},
             "N9": {'torsion': -127.7, 'tree': 'S', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 108.06, 'blen': 1.49,
                    'charge': -0.042, 'type': 'N*'},
             "C5'": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 1.44,
                     'charge': 0.18, 'type': 'CT'},
             "H22": {'torsion': -179.44, 'tree': 'E', 'NC': 20, 'NB': 22, 'NA': 23, 'I': 25, 'angle': 116.53,
                     'blen': 1.01, 'charge': 0.339, 'type': 'H2'},
             "C1'": {'torsion': 105.6, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 110.04, 'blen': 1.42,
                     'charge': 0.117, 'type': 'CT'},
             "C3'": {'torsion': -329.11, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 28, 'angle': 115.78, 'blen': 1.53,
                     'charge': 0.303, 'type': 'CT'},
             "HO2'": {'torsion': 180.0, 'tree': 'E', 'NC': 28, 'NB': 30, 'NA': 32, 'I': 33, 'angle': 107.0,
                      'blen': 0.96, 'charge': 0.324, 'type': 'HO'},
             "CUT": ['0.00000'],
             },
    "TRP": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "HZ2": {'torsion': 0.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.084, 'type': 'HC'},
            "HZ3": {'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 19, 'NA': 21, 'I': 22, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.057, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CD1', 'CE2', 'NE1', 'HE1'],
                           ['CE2', 'CH2', 'CZ2', 'HZ2'], ['CZ2', 'CZ3', 'CH2', 'HH2'], ['CH2', 'CE3', 'CZ3', 'HZ3'],
                           ['CZ3', 'CD2', 'CE3', 'HE3']],
            "CH2": {'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 19, 'angle': 116.0, 'blen': 1.39,
                    'charge': -0.077, 'type': 'CA'},
            "CZ3": {'torsion': 0.0, 'tree': 'B', 'NC': 16, 'NB': 17, 'NA': 19, 'I': 21, 'angle': 121.0, 'blen': 1.35,
                    'charge': -0.066, 'type': 'CA'},
            "NE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 107.0, 'blen': 1.43,
                    'charge': -0.352, 'type': 'NA'},
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HE3": {'torsion': 180.0, 'tree': 'E', 'NC': 19, 'NB': 21, 'NA': 23, 'I': 24, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.086, 'type': 'HC'},
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.093, 'type': 'HC'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 125.5, 'blen': 1.01,
                    'charge': 0.271, 'type': 'H'},
            "NAMRES": 'TRYPTOPHAN',
            "CD1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 127.0, 'blen': 1.34,
                    'charge': 0.044, 'type': 'CW'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'CD1', 'HD1', 'NE1', 'HE1', 'CE2', 'CZ2',
                           'HZ2', 'CH2', 'HH2', 'CZ3', 'HZ3', 'CE3', 'HE3', 'CD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CD2": {'torsion': 0.0, 'tree': 'E', 'NC': 19, 'NB': 21, 'NA': 23, 'I': 25, 'angle': 117.0, 'blen': 1.4,
                    'charge': 0.146, 'type': 'CB'},
            "CE2": {'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31,
                    'charge': 0.154, 'type': 'CN'},
            "CE3": {'torsion': 0.0, 'tree': 'B', 'NC': 17, 'NB': 19, 'NA': 21, 'I': 23, 'angle': 122.0, 'blen': 1.41,
                    'charge': -0.173, 'type': 'CA'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 26, 'I': 27, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51,
                   'charge': -0.135, 'type': 'C*'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.098, 'type': 'CT'},
            "CZ2": {'torsion': 180.0, 'tree': 'B', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 128.0, 'blen': 1.4,
                    'charge': -0.168, 'type': 'CA'},
            "loopList": [['CG', 'CD2'], ['CE2', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 26, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            "HH2": {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 17, 'NA': 19, 'I': 20, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.074, 'type': 'HC'},
            },
    "THR": {"atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG2', 'HG21', 'HG22', 'HG23', 'OG1', 'HG1', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HG23": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.065, 'type': 'HC'},
            "HB": {'torsion': 180.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.082, 'type': 'HC'},
            "HG22": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.065, 'type': 'HC'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': 0.17, 'type': 'CT'},
            "HG1": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.47, 'blen': 0.96,
                    'charge': 0.31, 'type': 'HO'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "HG21": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.065, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "OG1": {'torsion': 60.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.43,
                    'charge': -0.55, 'type': 'OH'},
            "CG2": {'torsion': 300.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.191, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            "NAMRES": 'THREONINE',
            },
    "DCYT": {"C4": {'torsion': 0.0, 'tree': 'B', 'NC': 13, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 116.9, 'blen': 1.43,
                    'charge': 0.935, 'type': 'CA'},
             "C5": {'torsion': 180.0, 'tree': 'B', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 16, 'angle': 121.0, 'blen': 1.36,
                    'charge': -0.576, 'type': 'CM'},
             "C6": {'torsion': 81.59, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 121.1, 'blen': 1.36,
                    'charge': 0.185, 'type': 'CM'},
             "O3'": {'torsion': -203.47, 'tree': 'M', 'NC': 5, 'NB': 8, 'NA': 25, 'I': 30, 'angle': 116.52,
                     'blen': 1.42, 'charge': -0.509, 'type': 'OS'},
             "H6": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.08,
                    'charge': 0.098, 'type': 'HC'},
             "impropTors": [['N1', 'N3', 'C2', 'O2'], ['C4', 'H41', 'N4', 'H42']],
             "C2": {'torsion': 0.0, 'tree': 'S', 'NC': 16, 'NB': 18, 'NA': 22, 'I': 23, 'angle': 120.5, 'blen': 1.36,
                    'charge': 0.859, 'type': 'C'},
             "H41": {'torsion': 0.0, 'tree': 'E', 'NC': 16, 'NB': 18, 'NA': 19, 'I': 20, 'angle': 117.7, 'blen': 1.01,
                     'charge': 0.329, 'type': 'H2'},
             "H42": {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 18, 'NA': 19, 'I': 21, 'angle': 120.27,
                     'blen': 1.01, 'charge': 0.351, 'type': 'H2'},
             "H2'2": {'torsion': -320.0, 'tree': 'E', 'NC': 8, 'NB': 25, 'NA': 27, 'I': 29, 'angle': 109.5,
                      'blen': 1.09, 'charge': 0.081, 'type': 'HC'},
             "O1'": {'torsion': -86.31, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 108.86, 'blen': 1.46,
                     'charge': -0.368, 'type': 'OS'},
             "H5": {'torsion': 180.0, 'tree': 'E', 'NC': 13, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.153, 'type': 'HC'},
             "INTX,KFORM": ['INT', '1'],
             "O5'": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                     'charge': -0.509, 'type': 'OS'},
             "N3": {'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 22, 'angle': 121.7, 'blen': 1.33,
                    'charge': -0.86, 'type': 'NC'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "loopList": [["C1'", "C2'"], ['C2', 'N1']],
             "N4": {'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.1, 'blen': 1.32,
                    'charge': -0.834, 'type': 'N2'},
             "NAMRES": 'D-CYTOSINE',
             "H4'": {'torsion': -200.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.056, 'type': 'HC'},
             "H1'": {'torsion': -240.0, 'tree': 'E', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.009, 'type': 'HC'},
             "O2": {'torsion': 180.0, 'tree': 'E', 'NC': 18, 'NB': 22, 'NA': 23, 'I': 24, 'angle': 122.4, 'blen': 1.24,
                    'charge': -0.508, 'type': 'O'},
             "atNameList": ["O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O1'", "C1'", "H1'", 'N1', 'C6', 'H6', 'C5',
                            'H5', 'C4', 'N4', 'H41', 'H42', 'N3', 'C2', 'O2', "C3'", "H3'", "C2'", "H2'1", "H2'2",
                            "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "H2'1": {'torsion': -200.0, 'tree': 'E', 'NC': 8, 'NB': 25, 'NA': 27, 'I': 28, 'angle': 109.5,
                      'blen': 1.09, 'charge': 0.081, 'type': 'HC'},
             "N1": {'torsion': -127.7, 'tree': 'S', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 108.1, 'blen': 1.49,
                    'charge': -0.187, 'type': 'N*'},
             "C2'": {'torsion': -86.3, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 25, 'I': 27, 'angle': 102.8, 'blen': 1.53,
                     'charge': -0.307, 'type': 'CT'},
             "H5'2": {'torsion': 330.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.021, 'type': 'HC'},
             "H5'1": {'torsion': 90.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.021, 'type': 'HC'},
             "H3'": {'torsion': -320.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 25, 'I': 26, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.025, 'type': 'HC'},
             "C4'": {'torsion': -151.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 110.0, 'blen': 1.52,
                     'charge': 0.036, 'type': 'CT'},
             "C5'": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 1.44,
                     'charge': 0.118, 'type': 'CT'},
             "C1'": {'torsion': 105.6, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 110.04, 'blen': 1.42,
                     'charge': 0.376, 'type': 'CT'},
             "C3'": {'torsion': -329.11, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 25, 'angle': 115.78, 'blen': 1.53,
                     'charge': 0.233, 'type': 'CT'},
             "CUT": ['0.00000'],
             },
    "VAL": {"HG22": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.031, 'type': 'HC'},
            "HG23": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 17, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.031, 'type': 'HC'},
            "HG21": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.031, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "HG13": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.031, 'type': 'HC'},
            "HG12": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.031, 'type': 'HC'},
            "HG11": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.031, 'type': 'HC'},
            "INTX,KFORM": ['INT', '1'],
            "CG2": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.091, 'type': 'CT'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CG1": {'torsion': 60.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.091, 'type': 'CT'},
            "NAMRES": 'VALINE',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG1', 'HG11', 'HG12', 'HG13', 'CG2', 'HG21', 'HG22',
                           'HG23', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HB": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.024, 'type': 'HC'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 18, 'I': 19, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.012, 'type': 'CT'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 18, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            },
    "WT3": {"HW1": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.0,
                    'charge': 0.417, 'type': 'HW'},
            "INTX,KFORM": ['INT', '1'],
            "atNameList": ['HW1', 'OW', 'HW2'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "loopList": [['HW1', 'HW2']],
            "HW2": {'torsion': -151.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 104.52, 'blen': 0.9572,
                    'charge': 0.417, 'type': 'HW'},
            "CUT": ['0.00000'],
            "OW": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 104.52, 'blen': 0.9572,
                   'charge': -0.834, 'type': 'OW'},
            "NAMRES": 'WATER, TIP3P MODEL',
            },
    "RCYT": {"C4": {'torsion': 0.0, 'tree': 'B', 'NC': 13, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 116.9, 'blen': 1.43,
                    'charge': 0.935, 'type': 'CA'},
             "C5": {'torsion': 180.0, 'tree': 'B', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 16, 'angle': 121.0, 'blen': 1.36,
                    'charge': -0.576, 'type': 'CM'},
             "C6": {'torsion': 81.59, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 121.1, 'blen': 1.36,
                    'charge': 0.185, 'type': 'CM'},
             "O3'": {'torsion': -203.47, 'tree': 'M', 'NC': 5, 'NB': 8, 'NA': 25, 'I': 31, 'angle': 116.52,
                     'blen': 1.42, 'charge': -0.509, 'type': 'OS'},
             "H6": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.08,
                    'charge': 0.098, 'type': 'HC'},
             "O2'": {'torsion': 240.0, 'tree': 'S', 'NC': 8, 'NB': 25, 'NA': 27, 'I': 29, 'angle': 109.5, 'blen': 1.43,
                     'charge': -0.546, 'type': 'OH'},
             "C2": {'torsion': 0.0, 'tree': 'S', 'NC': 16, 'NB': 18, 'NA': 22, 'I': 23, 'angle': 120.5, 'blen': 1.36,
                    'charge': 0.859, 'type': 'C'},
             "H41": {'torsion': 0.0, 'tree': 'E', 'NC': 16, 'NB': 18, 'NA': 19, 'I': 20, 'angle': 117.7, 'blen': 1.01,
                     'charge': 0.329, 'type': 'H2'},
             "H42": {'torsion': 180.0, 'tree': 'E', 'NC': 16, 'NB': 18, 'NA': 19, 'I': 21, 'angle': 120.27,
                     'blen': 1.01, 'charge': 0.351, 'type': 'H2'},
             "O1'": {'torsion': -86.31, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 108.86, 'blen': 1.46,
                     'charge': -0.343, 'type': 'OS'},
             "H5": {'torsion': 180.0, 'tree': 'E', 'NC': 13, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.153, 'type': 'HC'},
             "INTX,KFORM": ['INT', '1'],
             "O5'": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                     'charge': -0.509, 'type': 'OS'},
             "N3": {'torsion': 0.0, 'tree': 'S', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 22, 'angle': 121.7, 'blen': 1.33,
                    'charge': -0.86, 'type': 'NC'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "loopList": [["C1'", "C2'"], ['C2', 'N1']],
             "N4": {'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.1, 'blen': 1.32,
                    'charge': -0.834, 'type': 'N2'},
             "NAMRES": 'R-CYTOSINE',
             "H4'": {'torsion': -200.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.061, 'type': 'HC'},
             "H1'": {'torsion': -240.0, 'tree': 'E', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.054, 'type': 'HC'},
             "O2": {'torsion': 180.0, 'tree': 'E', 'NC': 18, 'NB': 22, 'NA': 23, 'I': 24, 'angle': 122.4, 'blen': 1.24,
                    'charge': -0.508, 'type': 'O'},
             "atNameList": ["O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O1'", "C1'", "H1'", 'N1', 'C6', 'H6', 'C5',
                            'H5', 'C4', 'N4', 'H41', 'H42', 'N3', 'C2', 'O2', "C3'", "H3'", "C2'", "H2'", "O2'", "HO2'",
                            "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "H2'": {'torsion': 120.0, 'tree': 'E', 'NC': 8, 'NB': 25, 'NA': 27, 'I': 28, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.008, 'type': 'HC'},
             "N1": {'torsion': -127.7, 'tree': 'S', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 108.1, 'blen': 1.49,
                    'charge': -0.187, 'type': 'N*'},
             "C2'": {'torsion': -86.3, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 25, 'I': 27, 'angle': 102.8, 'blen': 1.53,
                     'charge': 0.101, 'type': 'CT'},
             "H5'2": {'torsion': 330.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.008, 'type': 'HC'},
             "H5'1": {'torsion': 90.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.008, 'type': 'HC'},
             "H3'": {'torsion': -320.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 25, 'I': 26, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.007, 'type': 'HC'},
             "C4'": {'torsion': -151.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 110.0, 'blen': 1.52,
                     'charge': 0.1, 'type': 'CT'},
             "C5'": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 1.44,
                     'charge': 0.18, 'type': 'CT'},
             "C1'": {'torsion': 105.6, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 110.04, 'blen': 1.42,
                     'charge': 0.117, 'type': 'CT'},
             "C3'": {'torsion': -329.11, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 25, 'angle': 115.78, 'blen': 1.53,
                     'charge': 0.303, 'type': 'CT'},
             "HO2'": {'torsion': 180.0, 'tree': 'E', 'NC': 25, 'NB': 27, 'NA': 29, 'I': 30, 'angle': 107.0,
                      'blen': 0.96, 'charge': 0.324, 'type': 'HO'},
             "CUT": ['0.00000'],
             "impropTors": [['N1', 'N3', 'C2', 'O2'], ['C4', 'H41', 'N4', 'H42']],
             },
    "RPOM": {"INTX,KFORM": ['INT', '1'],
             "OB": {'torsion': -332.61, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 109.65, 'blen': 1.48,
                    'charge': -0.847, 'type': 'O2'},
             "atNameList": ['P', 'OA', 'OB'],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "CUT": ['0.00000'],
             "OA": {'torsion': -194.89, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 109.58, 'blen': 1.48,
                    'charge': -0.847, 'type': 'O2'},
             "P": {'torsion': -213.19, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 119.04, 'blen': 1.6,
                   'charge': 1.385, 'type': 'P'},
             "NAMRES": 'PHOSMI R',
             },
    "ASN": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'OD1', 'ND2', 'HD21', 'HD22', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "ND2": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 116.6, 'blen': 1.335,
                    'charge': -0.867, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.086, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CB', 'ND2', 'CG', 'OD1'],
                           ['CG', 'HD21', 'ND2', 'HD22']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 111.1, 'blen': 1.522,
                   'charge': 0.675, 'type': 'C'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HD21": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.344, 'type': 'H'},
            "OD1": {'torsion': 0.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.47, 'type': 'O'},
            "HD22": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 15, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.344, 'type': 'H'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 16, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            "NAMRES": 'ASPARAGINE',
            },
    "LYH": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.066, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.066, 'type': 'HC'},
            "HZ2": {'torsion': 300.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 22, 'angle': 109.47, 'blen': 1.01,
                    'charge': 0.29, 'type': 'H2'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "HZ1": {'torsion': 60.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 21, 'angle': 109.47, 'blen': 1.01,
                    'charge': 0.29, 'type': 'H2'},
            "NZ": {'torsion': 180.0, 'tree': 'B', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.47, 'blen': 1.47,
                   'charge': -0.8, 'type': 'NT'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 23, 'I': 24, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "INTX,KFORM": ['INT', '1'],
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.024, 'type': 'HC'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.024, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HE3": {'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.017, 'type': 'HC'},
            "HE2": {'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.017, 'type': 'HC'},
            "HD2": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.04, 'type': 'HC'},
            "HD3": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.04, 'type': 'HC'},
            "NAMRES": 'LYSINE',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'HD2', 'HD3', 'CE',
                           'HE2', 'HE3', 'NZ', 'HZ1', 'HZ2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "CD": {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.064, 'type': 'CT'},
            "CE": {'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 109.47, 'blen': 1.525,
                   'charge': 0.196, 'type': 'CT'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.048, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.142, 'type': 'CT'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 23, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            },
    "ASH": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.137, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.137, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'OD1', 'OD2', 'HD', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 15, 'I': 16, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.323, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CB', 'OD1', 'CG', 'OD2']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "HD": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 109.5, 'blen': 0.96,
                   'charge': 0.368, 'type': 'HO'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "INTX,KFORM": ['INT', '0'],
            "CG": {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.527,
                   'charge': 0.803, 'type': 'C'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "OD2": {'torsion': 270.0, 'tree': 'S', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.63, 'type': 'OH'},
            "OD1": {'torsion': 90.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.476, 'type': 'O'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 15, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            "NAMRES": 'ASP neutral',
            },
    "ACE": {"atNameList": ['H1', 'CH3', 'H2', 'H3', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
            "H2": {'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.01, 'type': 'HC'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "impropTors": [['CH3', '+M', 'C', 'O']],
            "CH3": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 90.0, 'blen': 1.09,
                    'charge': -0.142, 'type': 'CT'},
            "INTX,KFORM": ['INT', '1'],
            "H1": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 90.0, 'blen': 1.0,
                   'charge': 0.01, 'type': 'HC'},
            "H3": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.01, 'type': 'HC'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'NOMI', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 111.1, 'blen': 1.53,
                  'charge': 0.616, 'type': 'C'},
            "NAMRES": 'ACE BEGINNING GROUP',
            },
    "HIE": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "NE2": {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 15, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.146, 'type': 'NA'},
            "ND1": {'torsion': 180.0, 'tree': 'S', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.502, 'type': 'NB'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CE1', 'CD2', 'NE2', 'HE2']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 108.0, 'blen': 1.32,
                    'charge': 0.241, 'type': 'CR'},
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 16, 'angle': 125.0, 'blen': 1.01,
                    'charge': 0.228, 'type': 'H'},
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 13, 'NB': 15, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.114, 'type': 'HC'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 13, 'I': 14, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.036, 'type': 'HC'},
            "NAMRES": 'HISTIDINE EPSILONH',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'CE1', 'HE1', 'NE2', 'HE2', 'CD2',
                           'HD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 13, 'NA': 15, 'I': 17, 'angle': 110.0, 'blen': 1.36,
                    'charge': -0.184, 'type': 'CW'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.251, 'type': 'CC'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.098, 'type': 'CT'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            },
    "HID": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "NE2": {'torsion': 0.0, 'tree': 'S', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.502, 'type': 'NB'},
            "ND1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.146, 'type': 'NA'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CG', 'CE1', 'ND1', 'HD1']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 108.0, 'blen': 1.32,
                    'charge': 0.241, 'type': 'CR'},
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 126.0, 'blen': 1.01,
                    'charge': 0.228, 'type': 'H'},
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.018, 'type': 'HC'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.036, 'type': 'HC'},
            "NAMRES": 'HISTIDINE DELTAH',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'HD1', 'CE1', 'HE1', 'NE2', 'CD2',
                           'HD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 110.0, 'blen': 1.36,
                    'charge': 0.195, 'type': 'CV'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51,
                   'charge': -0.032, 'type': 'CC'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.098, 'type': 'CT'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            },
    "filename": 'all.in',
    "OHB": {"INTX,KFORM": ['INT', '1'],
            "atNameList": ['H', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
            "H": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 120.0, 'blen': 1.0,
                  'charge': 0.243, 'type': 'HO'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'NOMI', 'DU', 'BEG'],
            "O": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 120.0, 'blen': 0.96,
                  'charge': -0.577, 'type': 'OH'},
            "CUT": ['0.00000'],
            "NAMRES": 'OH BEGINNING',
            },
    "CYX": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0495, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.0495, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'SG', 'LP1', 'LP2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "SG": {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 116.0, 'blen': 1.81,
                   'charge': 0.824, 'type': 'S'},
            "LP1": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 96.7, 'blen': 0.679,
                    'charge': -0.4045, 'type': 'LP'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.098, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "LP2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 96.7, 'blen': 0.679,
                    'charge': -0.4045, 'type': 'LP'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            "NAMRES": 'CYSTINE(S-S BRIDGE)',
            },
    "PRO": {"HB2": {'torsion': 136.3, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.061, 'type': 'HC'},
            "HB3": {'torsion': 256.3, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.061, 'type': 'HC'},
            "atNameList": ['N', 'CD', 'HD2', 'HD3', 'CG', 'HG2', 'HG3', 'CB', 'HB2', 'HB3', 'CA', 'HA', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.5, 'type': 'O'},
            "impropTors": [['CA', '+M', 'C', 'O'], ['-M', 'CA', 'N', 'CD']],
            "HG2": {'torsion': 218.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.063, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 117.0, 'blen': 1.337,
                  'charge': -0.229, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "HG3": {'torsion': 98.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.063, 'type': 'HC'},
            "CG": {'torsion': 200.1, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 103.2, 'blen': 1.5,
                   'charge': -0.121, 'type': 'CT'},
            "HA": {'torsion': 81.1, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "CB": {'torsion': 338.3, 'tree': 'B', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 11, 'angle': 106.0, 'blen': 1.51,
                   'charge': -0.115, 'type': 'CT'},
            "CD": {'torsion': 356.1, 'tree': '3', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 126.1, 'blen': 1.458,
                   'charge': -0.012, 'type': 'CT'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CA": {'torsion': 175.2, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 14, 'angle': 120.6, 'blen': 1.451,
                   'charge': 0.035, 'type': 'CT'},
            "loopList": [['CB', 'CA']],
            "HD2": {'torsion': 80.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.06, 'type': 'HC'},
            "HD3": {'torsion': 320.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.06, 'type': 'HC'},
            "CUT": ['0.00000'],
            "C": {'torsion': 0.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 14, 'I': 16, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.526, 'type': 'C'},
            "NAMRES": 'PROLINE',
            },
    "LYS": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "HZ2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 22, 'angle': 109.47, 'blen': 1.01,
                    'charge': 0.294, 'type': 'H3'},
            "HZ3": {'torsion': 300.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 23, 'angle': 109.47, 'blen': 1.01,
                    'charge': 0.294, 'type': 'H3'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "HZ1": {'torsion': 60.0, 'tree': 'E', 'NC': 14, 'NB': 17, 'NA': 20, 'I': 21, 'angle': 109.47, 'blen': 1.01,
                    'charge': 0.294, 'type': 'H3'},
            "NZ": {'torsion': 180.0, 'tree': '3', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.47, 'blen': 1.47,
                   'charge': -0.138, 'type': 'N3'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 24, 'I': 25, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "INTX,KFORM": ['INT', '1'],
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.116, 'type': 'HC'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.116, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HE3": {'torsion': 60.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.098, 'type': 'HC'},
            "HE2": {'torsion': 300.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.098, 'type': 'HC'},
            "HD2": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.122, 'type': 'HC'},
            "HD3": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.122, 'type': 'HC'},
            "NAMRES": 'LYSINE',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'HD2', 'HD3', 'CE',
                           'HE2', 'HE3', 'NZ', 'HZ1', 'HZ2', 'HZ3', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "CD": {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.18, 'type': 'CT'},
            "CE": {'torsion': 180.0, 'tree': '3', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 17, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.038, 'type': 'CT'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.16, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.098, 'type': 'CT'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 24, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            },
    "D2AP": {"C4": {'torsion': 0.0, 'tree': 'E', 'NC': 22, 'NB': 23, 'NA': 25, 'I': 26, 'angle': 110.8, 'blen': 1.35,
                    'charge': 0.546, 'type': 'CB'},
             "C5": {'torsion': 0.0, 'tree': 'S', 'NC': 13, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 104.0, 'blen': 1.39,
                    'charge': -0.097, 'type': 'CB'},
             "C6": {'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 132.42, 'blen': 1.4,
                    'charge': 0.769, 'type': 'CQ'},
             "O3'": {'torsion': -203.47, 'tree': 'M', 'NC': 5, 'NB': 8, 'NA': 27, 'I': 32, 'angle': 116.52,
                     'blen': 1.42, 'charge': -0.509, 'type': 'OS'},
             "impropTors": [['C2', 'H21', 'N2', 'H22']],
             "C2": {'torsion': 0.0, 'tree': 'B', 'NC': 17, 'NB': 18, 'NA': 22, 'I': 21, 'angle': 118.8, 'blen': 1.33,
                    'charge': 0.661, 'type': 'CA'},
             "N3": {'torsion': 0.0, 'tree': 'S', 'NC': 18, 'NB': 22, 'NA': 23, 'I': 25, 'angle': 129.17, 'blen': 1.32,
                    'charge': -0.728, 'type': 'NC'},
             "C2'": {'torsion': -86.3, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 27, 'I': 29, 'angle': 102.8, 'blen': 1.53,
                     'charge': -0.307, 'type': 'CT'},
             "H2'1": {'torsion': 120.0, 'tree': 'E', 'NC': 8, 'NB': 27, 'NA': 29, 'I': 30, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.081, 'type': 'HC'},
             "C8": {'torsion': 81.59, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 131.2, 'blen': 1.37,
                    'charge': 0.263, 'type': 'CK'},
             "O1'": {'torsion': -86.31, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 108.86, 'blen': 1.46,
                     'charge': -0.368, 'type': 'OS'},
             "INTX,KFORM": ['INT', '1'],
             "H6": {'torsion': 180.0, 'tree': 'E', 'NC': 18, 'NB': 22, 'NA': 23, 'I': 19, 'angle': 120.0, 'blen': 1.08,
                    'charge': -0.032, 'type': 'HC'},
             "N7": {'torsion': 177.0, 'tree': 'S', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 16, 'angle': 113.93, 'blen': 1.3,
                    'charge': -0.543, 'type': 'NB'},
             "H2'2": {'torsion': 240.0, 'tree': 'E', 'NC': 8, 'NB': 27, 'NA': 29, 'I': 31, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.081, 'type': 'HC'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "loopList": [["C1'", "C2'"], ['C4', 'C5'], ['C4', 'N9']],
             "H21": {'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 18, 'NA': 19, 'I': 23, 'angle': 120.0, 'blen': 1.01,
                     'charge': 0.324, 'type': 'H2'},
             "NAMRES": '2-AMINO PURINE',
             "H8": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.08,
                    'charge': 0.062, 'type': 'HC'},
             "H4'": {'torsion': -200.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.056, 'type': 'HC'},
             "H1'": {'torsion': -240.0, 'tree': 'E', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.009, 'type': 'HC'},
             "atNameList": ["O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O1'", "C1'", "H1'", 'N9', 'C8', 'H8', 'N7',
                            'C5', 'C6', 'H6', 'N1', 'C2', 'N2', 'H21', 'H22', 'N3', 'C4', "C3'", "H3'", "C2'", "H2'1",
                            "H2'2", "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "N2": {'torsion': 0.0, 'tree': 'B', 'NC': 16, 'NB': 17, 'NA': 18, 'I': 22, 'angle': 123.5, 'blen': 1.34,
                    'charge': -0.768, 'type': 'N2'},
             "N1": {'torsion': 180.0, 'tree': 'S', 'NC': 16, 'NB': 17, 'NA': 18, 'I': 20, 'angle': 117.43, 'blen': 1.34,
                    'charge': -0.774, 'type': 'NC'},
             "H5'2": {'torsion': 90.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.021, 'type': 'HC'},
             "H5'1": {'torsion': -30.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.021, 'type': 'HC'},
             "H3'": {'torsion': 30.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 27, 'I': 28, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.025, 'type': 'HC'},
             "C4'": {'torsion': -151.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 110.0, 'blen': 1.52,
                     'charge': 0.036, 'type': 'CT'},
             "N9": {'torsion': -127.7, 'tree': 'S', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 109.59, 'blen': 1.52,
                    'charge': -0.073, 'type': 'N*'},
             "C5'": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 1.44,
                     'charge': 0.118, 'type': 'CT'},
             "H22": {'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 18, 'NA': 19, 'I': 24, 'angle': 120.0, 'blen': 1.01,
                     'charge': 0.335, 'type': 'H2'},
             "C1'": {'torsion': 105.6, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 110.04, 'blen': 1.42,
                     'charge': 0.376, 'type': 'CT'},
             "O5'": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                     'charge': -0.509, 'type': 'OS'},
             "C3'": {'torsion': -329.11, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 27, 'angle': 115.78, 'blen': 1.53,
                     'charge': 0.233, 'type': 'CT'},
             "CUT": ['0.00000'],
             },
    "ASP": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.071, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.071, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'OD1', 'OD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.398, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CB', 'OD1', 'CG', 'OD2']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CG": {'torsion': 180.0, 'tree': 'B', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.527,
                   'charge': 0.714, 'type': 'C'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "OD2": {'torsion': 270.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.721, 'type': 'O2'},
            "OD1": {'torsion': 90.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.721, 'type': 'O2'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 14, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            "NAMRES": 'ASPARTIC ACID',
            },
    "CYS": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "HG": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 96.0, 'blen': 1.33,
                   'charge': 0.135, 'type': 'HS'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'SG', 'HG', 'LP1', 'LP2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "SG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 116.0, 'blen': 1.81,
                   'charge': 0.827, 'type': 'SH'},
            "LP1": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 96.7, 'blen': 0.679,
                    'charge': -0.481, 'type': 'LP'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 15, 'I': 16, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.06, 'type': 'CT'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "LP2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 96.7, 'blen': 0.679,
                    'charge': -0.481, 'type': 'LP'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 15, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            "NAMRES": 'CYSTEINE',
            },
    "HE": {"INTX,KFORM": ['INT', '1'],
           "atNameList": ['H'],
           "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                    ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                    ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
           "H": {'torsion': -211.37, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 114.97, 'blen': 0.96,
                 'charge': 0.306, 'type': 'HO'},
           "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
           "CUT": ['0.00000'],
           "NAMRES": 'H END',
           },
    "POHE": {"INTX,KFORM": ['INT', '1'],
             "atNameList": ['O', 'H'],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "H": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 107.0, 'blen': 0.96,
                   'charge': 0.38, 'type': 'HO'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "O": {'torsion': 180.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 113.0, 'blen': 1.36,
                   'charge': -0.38, 'type': 'OH'},
             "CUT": ['0.00000'],
             "NAMRES": 'PROTEIN-OH END',
             },
    "GLU": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.092, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.092, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'OE1', 'OE2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CG', 'OE1', 'CD', 'OE2']],
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 17, 'I': 18, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CD": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.527,
                   'charge': 0.714, 'type': 'C'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.184, 'type': 'CT'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.071, 'type': 'HC'},
            "OE1": {'torsion': 90.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.721, 'type': 'O2'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.071, 'type': 'HC'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.51,
                   'charge': -0.398, 'type': 'CT'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 17, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            "OE2": {'torsion': 270.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.721, 'type': 'O2'},
            "NAMRES": 'GLUTAMIC ACID',
            },
    "HB": {"INTX,KFORM": ['INT', '1'],
           "atNameList": ['H'],
           "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                    ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                    ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
           "H": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 120.0, 'blen': 1.0,
                 'charge': 0.279, 'type': 'HO'},
           "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'NOMI', 'DU', 'BEG'],
           "CUT": ['0.00000'],
           "NAMRES": 'H BEGINNING',
           },
    "DADE": {"H2": {'torsion': 180.0, 'tree': 'E', 'NC': 18, 'NB': 22, 'NA': 23, 'I': 24, 'angle': 120.0, 'blen': 1.08,
                    'charge': -0.032, 'type': 'HC'},
             "C5": {'torsion': 0.0, 'tree': 'S', 'NC': 13, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 104.0, 'blen': 1.39,
                    'charge': -0.097, 'type': 'CB'},
             "C6": {'torsion': 180.0, 'tree': 'B', 'NC': 14, 'NB': 16, 'NA': 17, 'I': 18, 'angle': 132.42, 'blen': 1.4,
                    'charge': 0.769, 'type': 'CA'},
             "O3'": {'torsion': -203.47, 'tree': 'M', 'NC': 5, 'NB': 8, 'NA': 27, 'I': 32, 'angle': 116.52,
                     'blen': 1.42, 'charge': -0.509, 'type': 'OS'},
             "H62": {'torsion': 180.0, 'tree': 'E', 'NC': 17, 'NB': 18, 'NA': 19, 'I': 21, 'angle': 120.0, 'blen': 1.01,
                     'charge': 0.335, 'type': 'H2'},
             "impropTors": [['C6', 'H61', 'N6', 'H62']],
             "C2": {'torsion': 0.0, 'tree': 'B', 'NC': 17, 'NB': 18, 'NA': 22, 'I': 23, 'angle': 118.8, 'blen': 1.33,
                    'charge': 0.661, 'type': 'CQ'},
             "H61": {'torsion': 0.0, 'tree': 'E', 'NC': 17, 'NB': 18, 'NA': 19, 'I': 20, 'angle': 120.0, 'blen': 1.01,
                     'charge': 0.324, 'type': 'H2'},
             "C2'": {'torsion': -86.3, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 27, 'I': 29, 'angle': 102.8, 'blen': 1.53,
                     'charge': -0.307, 'type': 'CT'},
             "H2'1": {'torsion': 120.0, 'tree': 'E', 'NC': 8, 'NB': 27, 'NA': 29, 'I': 30, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.081, 'type': 'HC'},
             "C8": {'torsion': 81.59, 'tree': 'B', 'NC': 10, 'NB': 11, 'NA': 13, 'I': 14, 'angle': 131.2, 'blen': 1.37,
                    'charge': 0.263, 'type': 'CK'},
             "O1'": {'torsion': -86.31, 'tree': 'S', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 10, 'angle': 108.86, 'blen': 1.46,
                     'charge': -0.368, 'type': 'OS'},
             "INTX,KFORM": ['INT', '1'],
             "O5'": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                     'charge': -0.509, 'type': 'OS'},
             "N7": {'torsion': 177.0, 'tree': 'S', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 16, 'angle': 113.93, 'blen': 1.3,
                    'charge': -0.543, 'type': 'NB'},
             "H2'2": {'torsion': 240.0, 'tree': 'E', 'NC': 8, 'NB': 27, 'NA': 29, 'I': 31, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.081, 'type': 'HC'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "C4": {'torsion': 0.0, 'tree': 'E', 'NC': 22, 'NB': 23, 'NA': 25, 'I': 26, 'angle': 110.8, 'blen': 1.35,
                    'charge': 0.546, 'type': 'CB'},
             "loopList": [["C1'", "C2'"], ['C4', 'C5'], ['C4', 'N9']],
             "H3'": {'torsion': 30.0, 'tree': 'E', 'NC': 5, 'NB': 8, 'NA': 27, 'I': 28, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.025, 'type': 'HC'},
             "NAMRES": 'D-ADENOSINE',
             "H8": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 13, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.08,
                    'charge': 0.062, 'type': 'HC'},
             "H4'": {'torsion': -200.0, 'tree': 'E', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.056, 'type': 'HC'},
             "H1'": {'torsion': -240.0, 'tree': 'E', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.009, 'type': 'HC'},
             "N6": {'torsion': 0.0, 'tree': 'B', 'NC': 16, 'NB': 17, 'NA': 18, 'I': 19, 'angle': 123.5, 'blen': 1.34,
                    'charge': -0.768, 'type': 'N2'},
             "atNameList": ["O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O1'", "C1'", "H1'", 'N9', 'C8', 'H8', 'N7',
                            'C5', 'C6', 'N6', 'H61', 'H62', 'N1', 'C2', 'H2', 'N3', 'C4', "C3'", "H3'", "C2'", "H2'1",
                            "H2'2", "O3'"],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "N1": {'torsion': 180.0, 'tree': 'S', 'NC': 16, 'NB': 17, 'NA': 18, 'I': 22, 'angle': 117.43, 'blen': 1.34,
                    'charge': -0.774, 'type': 'NC'},
             "H5'2": {'torsion': 90.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.021, 'type': 'HC'},
             "H5'1": {'torsion': -30.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 6, 'angle': 109.5, 'blen': 1.09,
                      'charge': 0.021, 'type': 'HC'},
             "C4'": {'torsion': -151.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 5, 'I': 8, 'angle': 110.0, 'blen': 1.52,
                     'charge': 0.036, 'type': 'CT'},
             "N9": {'torsion': -127.7, 'tree': 'S', 'NC': 8, 'NB': 10, 'NA': 11, 'I': 13, 'angle': 109.59, 'blen': 1.52,
                    'charge': -0.073, 'type': 'N*'},
             "C5'": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 1.44,
                     'charge': 0.118, 'type': 'CT'},
             "C1'": {'torsion': 105.6, 'tree': 'B', 'NC': 5, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 110.04, 'blen': 1.42,
                     'charge': 0.376, 'type': 'CT'},
             "C3'": {'torsion': -329.11, 'tree': 'M', 'NC': 4, 'NB': 5, 'NA': 8, 'I': 27, 'angle': 115.78, 'blen': 1.53,
                     'charge': 0.233, 'type': 'CT'},
             "N3": {'torsion': 0.0, 'tree': 'S', 'NC': 18, 'NB': 22, 'NA': 23, 'I': 25, 'angle': 129.17, 'blen': 1.32,
                    'charge': -0.728, 'type': 'NC'},
             "CUT": ['0.00000'],
             },
    "GLY": {"HA3": {'torsion': 60.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.032, 'type': 'HC'},
            "atNameList": ['N', 'H', 'CA', 'HA2', 'HA3', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HA2": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.032, 'type': 'HC'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 9, 'I': 10, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "INTX,KFORM": ['INT', '1'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 9, 'angle': 110.4, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            "NAMRES": 'GLYCINE',
            },
    "HIP": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.086, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.086, 'type': 'HC'},
            "NE2": {'torsion': 0.0, 'tree': 'B', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 16, 'angle': 109.0, 'blen': 1.31,
                    'charge': -0.058, 'type': 'NA'},
            "ND1": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 122.0, 'blen': 1.39,
                    'charge': -0.058, 'type': 'NA'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CG', 'CE1', 'ND1', 'HD1'],
                           ['CE1', 'CD2', 'NE2', 'HE2']],
            "CE1": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 14, 'angle': 108.0, 'blen': 1.32,
                    'charge': 0.114, 'type': 'CR'},
            "INTX,KFORM": ['INT', '1'],
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "HD1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 12, 'I': 13, 'angle': 126.0, 'blen': 1.01,
                    'charge': 0.306, 'type': 'H'},
            "HD2": {'torsion': 180.0, 'tree': 'E', 'NC': 14, 'NB': 16, 'NA': 18, 'I': 19, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.153, 'type': 'HC'},
            "HE1": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 12, 'NA': 14, 'I': 15, 'angle': 120.0, 'blen': 1.09,
                    'charge': 0.158, 'type': 'HC'},
            "HE2": {'torsion': 180.0, 'tree': 'E', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 125.0, 'blen': 1.01,
                    'charge': 0.306, 'type': 'H'},
            "NAMRES": 'HISTIDINE PLUS',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'ND1', 'HD1', 'CE1', 'HE1', 'NE2', 'HE2',
                           'CD2', 'HD2', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "CD2": {'torsion': 0.0, 'tree': 'S', 'NC': 12, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 110.0, 'blen': 1.36,
                    'charge': -0.037, 'type': 'CW'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 20, 'I': 21, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': 'S', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 115.0, 'blen': 1.51,
                   'charge': 0.058, 'type': 'CC'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.098, 'type': 'CT'},
            "loopList": [['CG', 'CD2']],
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 20, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            },
    "GLN": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.038, 'type': 'HC'},
            "NE2": {'torsion': 180.0, 'tree': 'B', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 116.6, 'blen': 1.335,
                    'charge': -0.867, 'type': 'N'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CG', 'NE2', 'CD', 'OE1'],
                           ['CD', 'HE21', 'NE2', 'HE22']],
            "INTX,KFORM": ['INT', '1'],
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.057, 'type': 'HC'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.057, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "NAMRES": 'GLUTAMINE',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'OE1', 'NE2', 'HE21',
                           'HE22', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HE21": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.344, 'type': 'H'},
            "HE22": {'torsion': 0.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 16, 'I': 18, 'angle': 119.8, 'blen': 1.01,
                     'charge': 0.344, 'type': 'H'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "CD": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 111.1, 'blen': 1.522,
                   'charge': 0.675, 'type': 'C'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 19, 'I': 20, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.102, 'type': 'CT'},
            "OE1": {'torsion': 0.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 120.5, 'blen': 1.229,
                    'charge': -0.47, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.098, 'type': 'CT'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 19, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            },
    "ILE": {"HG22": {'torsion': 180.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.029, 'type': 'HC'},
            "HG23": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.029, 'type': 'HC'},
            "HG21": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 10, 'I': 11, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.029, 'type': 'HC'},
            "HD13": {'torsion': 300.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 20, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.028, 'type': 'HC'},
            "HG13": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 16, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.027, 'type': 'HC'},
            "HG12": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 15, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.027, 'type': 'HC'},
            "INTX,KFORM": ['INT', '1'],
            "CG2": {'torsion': 60.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.085, 'type': 'CT'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CG1": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 14, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.049, 'type': 'CT'},
            "NAMRES": 'ISOLEUCINE',
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB', 'CG2', 'HG21', 'HG22', 'HG23', 'CG1', 'HG12', 'HG13',
                           'CD1', 'HD11', 'HD12', 'HD13', 'C', 'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HD11": {'torsion': 60.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 18, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.028, 'type': 'HC'},
            "HD12": {'torsion': 180.0, 'tree': 'E', 'NC': 8, 'NB': 14, 'NA': 17, 'I': 19, 'angle': 109.5, 'blen': 1.09,
                     'charge': 0.028, 'type': 'HC'},
            "HB": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.022, 'type': 'HC'},
            "CD1": {'torsion': 180.0, 'tree': '3', 'NC': 6, 'NB': 8, 'NA': 14, 'I': 17, 'angle': 109.47, 'blen': 1.525,
                    'charge': -0.085, 'type': 'CT'},
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 21, 'I': 22, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 109.47, 'blen': 1.525,
                   'charge': -0.012, 'type': 'CT'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 21, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O']],
            },
    "DOHE": {"INTX,KFORM": ['INT', '1'],
             "atNameList": ['O', 'H'],
             "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                      ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.000', '0.000', '0.000', '0.00000'],
                      ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.000', '90.000', '0.000', '0.00000']],
             "H": {'torsion': -39.22, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.0, 'blen': 0.96,
                   'charge': 0.226, 'type': 'HO'},
             "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
             "O": {'torsion': -98.89, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 101.43, 'blen': 1.6,
                   'charge': -0.621, 'type': 'OH'},
             "CUT": ['0.00000'],
             "NAMRES": 'D-OH END',
             },
    "GLH": {"HB2": {'torsion': 300.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 9, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.092, 'type': 'HC'},
            "HB3": {'torsion': 60.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 10, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.092, 'type': 'HC'},
            "impropTors": [['-M', 'CA', 'N', 'H'], ['CA', '+M', 'C', 'O'], ['CG', 'OE1', 'CD', 'OE2']],
            "INTX,KFORM": ['INT', '0'],
            "HG3": {'torsion': 60.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 13, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.137, 'type': 'HC'},
            "HG2": {'torsion': 300.0, 'tree': 'E', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 12, 'angle': 109.5, 'blen': 1.09,
                    'charge': 0.137, 'type': 'HC'},
            "N": {'torsion': 180.0, 'tree': 'M', 'NC': 1, 'NB': 2, 'NA': 3, 'I': 4, 'angle': 116.6, 'blen': 1.335,
                  'charge': -0.463, 'type': 'N'},
            "IFIXC,IOMIT,ISYMDU,IPOS": ['CORR', 'OMIT', 'DU', 'BEG'],
            "CA": {'torsion': 180.0, 'tree': 'M', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 6, 'angle': 121.9, 'blen': 1.449,
                   'charge': 0.035, 'type': 'CT'},
            "OE2": {'torsion': 270.0, 'tree': 'S', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 16, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.63, 'type': 'OH'},
            "NAMRES": 'GLU neutral',
            "HE": {'torsion': 180.0, 'tree': 'E', 'NC': 11, 'NB': 14, 'NA': 16, 'I': 17, 'angle': 109.5, 'blen': 0.96,
                   'charge': 0.368, 'type': 'HO'},
            "atNameList": ['N', 'H', 'CA', 'HA', 'CB', 'HB2', 'HB3', 'CG', 'HG2', 'HG3', 'CD', 'OE1', 'OE2', 'HE', 'C',
                           'O'],
            "DUMM": [['1', 'DUMM', 'DU', 'M', '0', '-1', '-2', '0.000', '0.000', '0.000', '0.00000'],
                     ['2', 'DUMM', 'DU', 'M', '1', '0', '-1', '1.449', '0.000', '0.000', '0.00000'],
                     ['3', 'DUMM', 'DU', 'M', '2', '1', '0', '1.522', '111.100', '0.000', '0.00000']],
            "HA": {'torsion': 300.0, 'tree': 'E', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 7, 'angle': 109.5, 'blen': 1.09,
                   'charge': 0.048, 'type': 'HC'},
            "H": {'torsion': 0.0, 'tree': 'E', 'NC': 2, 'NB': 3, 'NA': 4, 'I': 5, 'angle': 119.8, 'blen': 1.01,
                  'charge': 0.252, 'type': 'H'},
            "CD": {'torsion': 180.0, 'tree': 'B', 'NC': 6, 'NB': 8, 'NA': 11, 'I': 14, 'angle': 109.47, 'blen': 1.527,
                   'charge': 0.803, 'type': 'C'},
            "O": {'torsion': 0.0, 'tree': 'E', 'NC': 4, 'NB': 6, 'NA': 18, 'I': 19, 'angle': 120.5, 'blen': 1.229,
                  'charge': -0.504, 'type': 'O'},
            "CG": {'torsion': 180.0, 'tree': '3', 'NC': 4, 'NB': 6, 'NA': 8, 'I': 11, 'angle': 109.47, 'blen': 1.51,
                   'charge': -0.323, 'type': 'CT'},
            "OE1": {'torsion': 90.0, 'tree': 'E', 'NC': 8, 'NB': 11, 'NA': 14, 'I': 15, 'angle': 117.2, 'blen': 1.26,
                    'charge': -0.476, 'type': 'O'},
            "CB": {'torsion': 60.0, 'tree': '3', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 8, 'angle': 111.1, 'blen': 1.525,
                   'charge': -0.184, 'type': 'CT'},
            "CUT": ['0.00000'],
            "C": {'torsion': 180.0, 'tree': 'M', 'NC': 3, 'NB': 4, 'NA': 6, 'I': 18, 'angle': 111.1, 'blen': 1.522,
                  'charge': 0.616, 'type': 'C'},
            },
}
